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authorTodd Gamblin <tgamblin@llnl.gov>2022-07-30 15:19:18 -0700
committerTodd Gamblin <tgamblin@llnl.gov>2022-07-31 13:29:20 -0700
commitf52f6e99dbf1131886a80112b8c79dfc414afb7c (patch)
tree05cb7d64b2395922f2f24683da49f472075be12c /var/spack/repos/builtin/packages/gromacs-swaxs/package.py
parent549ba1ed32372c67fc57271cde3797d58b7dec6e (diff)
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Diffstat (limited to 'var/spack/repos/builtin/packages/gromacs-swaxs/package.py')
-rw-r--r--var/spack/repos/builtin/packages/gromacs-swaxs/package.py191
1 files changed, 126 insertions, 65 deletions
diff --git a/var/spack/repos/builtin/packages/gromacs-swaxs/package.py b/var/spack/repos/builtin/packages/gromacs-swaxs/package.py
index f520d07136..f807443086 100644
--- a/var/spack/repos/builtin/packages/gromacs-swaxs/package.py
+++ b/var/spack/repos/builtin/packages/gromacs-swaxs/package.py
@@ -10,71 +10,132 @@ from spack.pkg.builtin.gromacs import Gromacs
class GromacsSwaxs(Gromacs):
"""Modified Gromacs for small-angle scattering calculations (SAXS/WAXS/SANS)"""
- homepage = 'https://biophys.uni-saarland.de/swaxs.html'
- url = 'https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.1/gromacs-swaxs-release-2019.swaxs-0.1.tar.bz2'
- git = 'https://gitlab.com/cbjh/gromacs-swaxs.git'
- maintainers = ['w8jcik']
-
- version('2021.5-0.4', sha256='9f8ed6d448a04789d45e847cbbc706a07130377f578388220a9d5357fae9d1c3',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.4/gromacs-swaxs-release-2021.swaxs-0.4.tar.bz2')
-
- version('2021.5-0.3', sha256='e05ea76610657e52e8293abff53ee9f16f4cffa508074e1e10132ed5fba97881',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.3/gromacs-swaxs-release-2021.swaxs-0.3.tar.bz2')
-
- version('2021.4-0.2', sha256='ea0dbe868d20e05c8fca337e0dddc16116a83fa7a6ac3a924942e9d00952ed62',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.2/gromacs-swaxs-release-2021.swaxs-0.2.tar.bz2')
-
- version('2021.4-0.1', sha256='eda1c8a7aae6001ef40480addf9fff9cdccc7e2b80480e36d069f50d6f2be26e', deprecated=True,
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.1/gromacs-swaxs-release-2021.swaxs-0.1.tar.bz2')
-
- version('2020.7-0.4', sha256='3eb0975ec92a89f6a3be548896307376974805ac685a9f776b0131a449a6b8a4',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.4/gromacs-swaxs-release-2020.swaxs-0.4.tar.bz2')
-
- version('2020.7-0.3', sha256='eb5902df079b8f86c56b62be695c0d17307c195b2cdd7cefb7e117466be83211',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.3/gromacs-swaxs-release-2020.swaxs-0.3.tar.bz2')
-
- version('2020.6-0.2', sha256='c22a7c6a0ee54eee1b3e224530f65e6f976a7aca5dc0f5ea22b2935a5a4357e9',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.2/gromacs-swaxs-release-2020.swaxs-0.2.tar.bz2')
-
- version('2020.6-0.1', sha256='3d8360a3cc9144772786bddaa11e3dbc37d6a466b99f3314bf3928261c2fddcf', deprecated=True,
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.1/gromacs-swaxs-release-2020.swaxs-0.1.tar.bz2')
-
- version('2019.6-0.3', sha256='1cf81592813333954bb1051321543f211d81f120a821a0c9386081e4cd367e84',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.3/gromacs-swaxs-release-2019.swaxs-0.3.tar.bz2')
-
- version('2019.6-0.2', sha256='a45eeee3983a4443d3a40ea417770f3abd93f43eb80e021fd9d6830e414565cb', deprecated=True,
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.2/gromacs-swaxs-release-2019.swaxs-0.2.tar.bz2')
-
- version('2019.6-0.1', sha256='91da09eed80646d6a1c500be78891bef22623a19795a9bc89adf9f2ec4f85635',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.1/gromacs-swaxs-release-2019.swaxs-0.1.tar.bz2')
-
- version('2018.8-0.4', sha256='465bbd234b6805209cf39c6bfa4f482c367b947742bb2b9a3d535d362f254dcb',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.4/gromacs-swaxs-release-2018.swaxs-0.4.tar.bz2')
-
- version('2018.8-0.3', sha256='5e94d636fda28e81ff1f3cff2c9f6e7f458bf496f4d1ed7bc10e911bd98b303c', deprecated=True,
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.3/gromacs-swaxs-release-2018.swaxs-0.3.tar.bz2')
-
- version('2018.8-0.2', sha256='f8bf0d363334a9117a2a8deb690dadaa826b73b57a761949c7846a13b84b5af5',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.2/gromacs-swaxs-release-2018.swaxs-0.2.tar.bz2')
-
- version('2018.8-0.1', sha256='478f45286dfedb8f01c2d5bf0773a391c2de2baf85283ef683e911bc43e24675',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.1/gromacs-swaxs-release-2018.swaxs-0.1.tar.bz2')
-
- version('2016.6-0.1', sha256='11e8ae6b3141f356bae72b595737a1f253b878d313169703ba33a69ded01a04e',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2016.swaxs-0.1/gromacs-swaxs-release-2016.swaxs-0.1.tar.bz2')
-
- version('5.1.5-0.3', sha256='a9e8382eec3cc0d943e1869f13945ea4a971a95a70eb314c1f26a17fa7d03792',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-5-1.swaxs-0.3/gromacs-swaxs-release-5-1.swaxs-0.3.tar.bz2')
-
- version('5.0.7-0.5', sha256='7f7f69726472a641a5443f1993a6e1fb8cfa9c74aeaf46e8c5d1db37005ece79',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-5-0.swaxs-0.5/gromacs-swaxs-release-5-0.swaxs-0.5.tar.bz2')
-
- version('4.6.7-0.8', sha256='1cfa34fe9ff543b665cd556f3395a9aa67f916110ba70255c97389eafe8315a2',
- url='https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-4-6.swaxs-0.8/gromacs-swaxs-release-4-6.swaxs-0.8.tar.bz2')
-
- conflicts('+plumed')
- conflicts('+opencl')
- conflicts('+sycl')
+ homepage = "https://biophys.uni-saarland.de/swaxs.html"
+ url = "https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.1/gromacs-swaxs-release-2019.swaxs-0.1.tar.bz2"
+ git = "https://gitlab.com/cbjh/gromacs-swaxs.git"
+ maintainers = ["w8jcik"]
+
+ version(
+ "2021.5-0.4",
+ sha256="9f8ed6d448a04789d45e847cbbc706a07130377f578388220a9d5357fae9d1c3",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.4/gromacs-swaxs-release-2021.swaxs-0.4.tar.bz2",
+ )
+
+ version(
+ "2021.5-0.3",
+ sha256="e05ea76610657e52e8293abff53ee9f16f4cffa508074e1e10132ed5fba97881",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.3/gromacs-swaxs-release-2021.swaxs-0.3.tar.bz2",
+ )
+
+ version(
+ "2021.4-0.2",
+ sha256="ea0dbe868d20e05c8fca337e0dddc16116a83fa7a6ac3a924942e9d00952ed62",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.2/gromacs-swaxs-release-2021.swaxs-0.2.tar.bz2",
+ )
+
+ version(
+ "2021.4-0.1",
+ sha256="eda1c8a7aae6001ef40480addf9fff9cdccc7e2b80480e36d069f50d6f2be26e",
+ deprecated=True,
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2021.swaxs-0.1/gromacs-swaxs-release-2021.swaxs-0.1.tar.bz2",
+ )
+
+ version(
+ "2020.7-0.4",
+ sha256="3eb0975ec92a89f6a3be548896307376974805ac685a9f776b0131a449a6b8a4",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.4/gromacs-swaxs-release-2020.swaxs-0.4.tar.bz2",
+ )
+
+ version(
+ "2020.7-0.3",
+ sha256="eb5902df079b8f86c56b62be695c0d17307c195b2cdd7cefb7e117466be83211",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.3/gromacs-swaxs-release-2020.swaxs-0.3.tar.bz2",
+ )
+
+ version(
+ "2020.6-0.2",
+ sha256="c22a7c6a0ee54eee1b3e224530f65e6f976a7aca5dc0f5ea22b2935a5a4357e9",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.2/gromacs-swaxs-release-2020.swaxs-0.2.tar.bz2",
+ )
+
+ version(
+ "2020.6-0.1",
+ sha256="3d8360a3cc9144772786bddaa11e3dbc37d6a466b99f3314bf3928261c2fddcf",
+ deprecated=True,
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2020.swaxs-0.1/gromacs-swaxs-release-2020.swaxs-0.1.tar.bz2",
+ )
+
+ version(
+ "2019.6-0.3",
+ sha256="1cf81592813333954bb1051321543f211d81f120a821a0c9386081e4cd367e84",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.3/gromacs-swaxs-release-2019.swaxs-0.3.tar.bz2",
+ )
+
+ version(
+ "2019.6-0.2",
+ sha256="a45eeee3983a4443d3a40ea417770f3abd93f43eb80e021fd9d6830e414565cb",
+ deprecated=True,
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.2/gromacs-swaxs-release-2019.swaxs-0.2.tar.bz2",
+ )
+
+ version(
+ "2019.6-0.1",
+ sha256="91da09eed80646d6a1c500be78891bef22623a19795a9bc89adf9f2ec4f85635",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2019.swaxs-0.1/gromacs-swaxs-release-2019.swaxs-0.1.tar.bz2",
+ )
+
+ version(
+ "2018.8-0.4",
+ sha256="465bbd234b6805209cf39c6bfa4f482c367b947742bb2b9a3d535d362f254dcb",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.4/gromacs-swaxs-release-2018.swaxs-0.4.tar.bz2",
+ )
+
+ version(
+ "2018.8-0.3",
+ sha256="5e94d636fda28e81ff1f3cff2c9f6e7f458bf496f4d1ed7bc10e911bd98b303c",
+ deprecated=True,
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.3/gromacs-swaxs-release-2018.swaxs-0.3.tar.bz2",
+ )
+
+ version(
+ "2018.8-0.2",
+ sha256="f8bf0d363334a9117a2a8deb690dadaa826b73b57a761949c7846a13b84b5af5",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.2/gromacs-swaxs-release-2018.swaxs-0.2.tar.bz2",
+ )
+
+ version(
+ "2018.8-0.1",
+ sha256="478f45286dfedb8f01c2d5bf0773a391c2de2baf85283ef683e911bc43e24675",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2018.swaxs-0.1/gromacs-swaxs-release-2018.swaxs-0.1.tar.bz2",
+ )
+
+ version(
+ "2016.6-0.1",
+ sha256="11e8ae6b3141f356bae72b595737a1f253b878d313169703ba33a69ded01a04e",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-2016.swaxs-0.1/gromacs-swaxs-release-2016.swaxs-0.1.tar.bz2",
+ )
+
+ version(
+ "5.1.5-0.3",
+ sha256="a9e8382eec3cc0d943e1869f13945ea4a971a95a70eb314c1f26a17fa7d03792",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-5-1.swaxs-0.3/gromacs-swaxs-release-5-1.swaxs-0.3.tar.bz2",
+ )
+
+ version(
+ "5.0.7-0.5",
+ sha256="7f7f69726472a641a5443f1993a6e1fb8cfa9c74aeaf46e8c5d1db37005ece79",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-5-0.swaxs-0.5/gromacs-swaxs-release-5-0.swaxs-0.5.tar.bz2",
+ )
+
+ version(
+ "4.6.7-0.8",
+ sha256="1cfa34fe9ff543b665cd556f3395a9aa67f916110ba70255c97389eafe8315a2",
+ url="https://gitlab.com/cbjh/gromacs-swaxs/-/archive/release-4-6.swaxs-0.8/gromacs-swaxs-release-4-6.swaxs-0.8.tar.bz2",
+ )
+
+ conflicts("+plumed")
+ conflicts("+opencl")
+ conflicts("+sycl")
def remove_parent_versions(self):
"""